《Precision Chemistry》

作品数：130被引量：32H指数：3
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《Precision Chemistry》
主办单位：中国科学技术大学;美国化学会
最新期次：2024年12期更多>>
发文主题：PRECISECATALYSTSSELECTIVITYRADICALCO更多>>
发文领域：理学一般工业技术化学工程金属学及工艺更多>>
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Precision in Sensing
《Precision Chemistry》2024年第12期610-611,共2页J.Justin Gooding 
Precision and accuracy form the very foundation of analytical chemistry including,of course,sensors.Thus,the launch of a new ACSjournal for Precision Chemistry in 2023 certainly raised our interest here at ACS Sensors...
关键词：PRECISE JOURNAL MANIPULATION 
LASP to the Future of Atomic Simulation:Intelligence and Automation
《Precision Chemistry》2024年第12期612-627,共16页Xin-Tian Xie Zheng-Xin Yang Dongxiao Chen Yun-Fei Shi Pei-Lin Kang Sicong Ma Ye-Fei Li Cheng Shang Zhi-Pan Liu 
supported by the National Science Foundation of China(12188101,22033003,22122301,91945301,91745201,22203101);the Fundamental Research Funds for the Central Universities(20720220011);the National Key Research and Development Program of China(2018YFA0208600);Science&Technology Commission of Shanghai Municipality(23ZR1476100);the Tencent Foundation for XPLORER PRIZE.
Atomic simulations aim to understand and predict complex physical phenomena,the success of which relies largely on the accuracy of the potential energy surface description and the efficiency to capture important rare ...
关键词：Machine learning Global neural network potential Large-scale atomic simulation Potential energy surface Software FIRST-PRINCIPLES Catalytic reactions Material design 
Proton Transfer Anionic Polymerization of Methyl Methacrylate with Ligands for Dual Control of Molecular Weight and Tacticity
《Precision Chemistry》2024年第12期628-633,共6页Katsutoshi Sagawa Mineto Uchiyama Hironobu Watanabe Chihiro Homma Masami Kamigaito 
supported by a JSPS KAKENHI Grant-in-Aid for Scientific Research(C)(No.JP22K05209);Transformative Research Areas(A)“Green Catalysis Science for Renovating Transformation of Carbon-Based Research”(No.JP23H04915)for M.U.;Scientific Research(A)(No.JP22H00333)for M.K.K.S.acknowledges the“Graduate Program of Transformative Chem-Bio Research(GTR)”at Nagoya University.
Dual control of the molecular weight and tacticity in proton transfer anionic polymerization(PTAP)of methyl methacrylate(MMA)was investigated by using various ligands in the presence of a bulky potassium base catalyst...
关键词：living polymerization anionic polymerization stereospecific polymerization METHACRYLATE stereoblock polymer 
Mechanically Stable and Damage Resistant Freestanding Ultrathin Silver Nanowire Films with Closely Packed Crossed-Lamellar Structure
《Precision Chemistry》2024年第12期634-643,共10页Si-Chao Zhang Huai-Ling Ga Long Zhang Yin-Bo Zhu Ya-Dong Wu Jian-Wei Liu Li-Bo Mao Mei Feng Liang Dong Zhao Pan Xiang-Sen Meng Yang Lu Shu-Hong Yu 
supported by the National Key Research and Development Program of China(2021YFA0715700);the Strategic Priority Research Program of the Chinese Academy of Sciences(Grants XDB0450402);the National Natural Science Foundation of China(22293044,21975241,22222508);the Fundamental Research Funds for the Central Universities(WK2340000112);the Major Basic Research Project of Anhui Province(2023z04020009);the New Cornerstone Investigator Program.
One-dimensional(1D)functional nanowires are widely used as nanoscale building blocks for assembling advanced nanodevices due to their unique functionalities.However,previous research has mainly focused on nanowire fun...
关键词：Biomimetics hierarchical structure structural stability damage resistance functional nanowire assemblies 
Water-Mediated Proton Hopping Mechanisms at the SnO_(2)(110)/H_(2)O Interface from Ab Initio Deep Potential Molecular Dynamics
《Precision Chemistry》2024年第12期644-654,共11页Mei Jia Yong-Bin Zhuang Feng Wang Chao Zhang Jun Cheng 
funding from the National Science Fund for Distinguished Young Scholars(Grant No.22225302);the National Natural Science Foundation of China(Grant Nos.92161113,21991151,21991150,and 22021001);the Fundamental Research Funds for the Central Universities(Grant Nos.20720220008,20720220009,20720220010);Laboratory of AI for Electrochemistry(AI4EC);IKKEM(Grant Nos.RD2023100101 and RD2022070501);M.J.greatly appreciates the financial support from the Natural Science Foundation of Henan Province(Grant No.242300420420570);the Key Scientific Research Projects of Colleges and Universities in Henan Province(No.24A150031);the International Scientific and Technological Cooperation Projects in Henan Province(No.232102520020)。
The interfacial proton transfer(PT)reaction on the metal oxide surface is an important step in many chemical processes including photoelectrocatalytic water splitting,dehydrogenation,and hydrogen storage.The investiga...
关键词：Proton transfer mechanism ab initio molecular dynamics deep potential molecular dynamics rutile oxide machine learning solvation effect free energy 
Achieving Linearα‑Macro-olefins in Ethylene Polymerization through Precisely Tuned Bis(imino)pyridylcobalt Precatalysts with Steric and Electronic Parameters
《Precision Chemistry》2024年第12期655-668,共14页Kainat Fatima Tahir Yanping Ma Qaiser Mahmood Geng Ren Areej Khalid Yizhou Wang Song Zou Tongling Liang Wen-Hua Sun 
financially supported by the Chemistry and Chemical Engineering Guangdong Laboratory(2111018 and 2132012);K.F.T.would like to express gratitude towards the ANSO Scholarship Program for their support.
Synthesis of functional polyethylene from ethylene alone is tricky and heavily dependent on both the type and structure of the precatalyst and the choice of cocatalyst used in the polymerization.In the present study,a...
关键词：Bis(imino)pyridylcobalt precatalysts ethylene polymerization moderate polymer molecular weight polyethylene linearα-macro-olefins β-elimination reaction 
Whole-Process Precision Chemistry for Clusters
《Precision Chemistry》2024年第11期559-562,共4页Jianping Xie 
Clusters occupy a unique position in the material world,bridging the gap between individual atoms and bulk materials.This distinct state is not limited to metallic elements but extends across the periodic table,encomp...
关键词：materials. ATTRACTIVE PRECISE 
The Coupling of Synthesis and Electrochemistry to Enable the Reversible Storage of Hydrogen as Metal Hydrides被引量：1
《Precision Chemistry》2024年第11期563-569,共7页Matthew Nava Lina M.Zarnitsa Martin-Louis Y.Riu 
Given its high gravimetric energy density and status as a clean fuel when derived from renewables,hydrogen(H2)is considered a premier candidate for energy storage;however,its low volumetric density limits its broader ...
关键词：Hydrogen storage metal hydrides hydrogen hydride interconversion hydrogen reduction reaction ELECTROCATALYSTS 
Leveraging Machine Learning Potentials for In-Situ Searching of Active sites in Heterogeneous Catalysis
《Precision Chemistry》2024年第11期570-586,共17页Xiran Cheng Chenyu Wu Jiayan Xu Yulan Han Wenbo Xie P.Hu 
the NKRDPC(2021YFA1500700)and NSFC(92045303).X.C.is grateful for financial support from ShanghaiTech University.
This Perspective explores the integration of machine learning potentials(MLPs)in the research of heterogeneous catalysis,focusing on their role in identifying in situ active sites and enhancing the understanding of ca...
关键词：heterogeneous catalysis machine learning potential global optimizations active sites structure prediction 
Pd-Catalyzed Stereospecific Glycosyl Cross-Coupling of Reversed Anomeric Stannanes for Modular Synthesis of Nonclassical C‑Glycosides
《Precision Chemistry》2024年第11期587-599,共13页Guoqiang Cheng Bo Yang Yang Han Wei Lin Siyuan Tao Yong Nian Yingzi Li Maciej A.Walczak Feng Zhu 
sponsored by the National Key R&D Program of China(Grant No.2023YFA1508800);National Science Foundation(Grant No.22301178);Shanghai Pilot Program for Basic Research-Shanghai Jiao Tong University(Grant No.21TQ1400210);Fundamental Research Funds for the Central Universities(Grant No.22X010201631);the Open Grant from the Pingyuan Laboratory(2023PY-OP-0102);Excellent Young Scientists Fund Program(Overseas),Natural Science Founda-tion of Shanghai(Grant No.21ZR1435600);Shanghai Sailing Program(Grant No 21YF1420600);start-up fundings from Shanghai Jiao Tong University(SJTU);Part of this study was supported by the National Science Foundation(Grant No.82204192 to Y.N.);National Key R&D Program of China(Grant No.2023YFC2308200 to Y.N.);Natural Science Foundation of Jiangsu Province(BK20220471 to Y.N.);Beatriu de Pinós programme from AGAUR(Grant No.2022 BP 00055 to Y.L);the China Postdoctoral Science Foundation(2022M722071 to B.Y.).
Nonclassical C-glycosides,distinguished by their unique glycosidic bond connection mode,represent a promising avenue for the development of carbohydrate-based drugs.However,the accessibility of nonclassical C-glycosid...
关键词：Glycosylation CROSS-COUPLING Nonclassical C-glycosides Reversed anomeric stannanes STEREOSPECIFICITY 
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